2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid

C16H24N2O3 — CID 83994006

IUPAC2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(CCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c19-7-6-14-8-15(11-18(10-14)12-16(20)21)17-9-13-4-2-1-3-5-13/h1-5,14-15,17,19H,6-12H2,(H,20,21)
InChIKeyOQWYIKQIGOVVRF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.93
Rot. Bonds7

About 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid

2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid (PubChem CID 83994006) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
PubChem CID83994006
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CC(CCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C16H24N2O3/c19-7-6-14-8-15(11-18(10-14)12-16(20)21)17-9-13-4-2-1-3-5-13/h1-5,14-15,17,19H,6-12H2,(H,20,21)
InChIKeyOQWYIKQIGOVVRF-UHFFFAOYSA-N
XLogP0.93
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid (CID 83994006) is 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid is O=C(O)CN1CC(CCO)CC(NCc2ccccc2)C1.
What is the InChIKey of 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid?
The InChIKey is OQWYIKQIGOVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-7-6-14-8-15(11-18(10-14)12-16(20)21)17-9-13-4-2-1-3-5-13/h1-5,14-15,17,19H,6-12H2,(H,20,21).
What are the key properties of 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid?
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83994006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).